SCHEMBL19987728

SCHEMBL19987728

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4cc(-c5ccc([N+](=O)[O-])cc5)ncc34)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.43
AXL P30530 10/20 0.40
KDR P35968 4/20 0.40
MERTK Q12866 5/20 0.39
KIT P10721 3/20 0.35
FLT3 P36888 3/20 0.35
RET P07949 2/20 0.35
PDGFRA P16234 1/20 0.35
HSPB1 P04792 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PDGFRB P09619 1/20 0.35
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20478185 0.90 AXL (0.43) METAXLKDRMERTKKIT
SCHEMBL20478189 0.89 MET (0.42) METAXLKDRMERTKKIT
SCHEMBL19987740 0.88 AXL (0.42) METAXLKDRMERTKKIT
SCHEMBL29729024 0.87 AXL (0.43) METAXLKDRMERTKKIT
SCHEMBL19987750 0.87 AXL (0.43) METAXLKDRMERTKKIT
SCHEMBL19987714 0.86 MET (0.42) METAXLKDRMERTKKIT
SCHEMBL19987783 0.86 AXL (0.44) METAXLKDRMERTKKIT
SCHEMBL19987737 0.85 AXL (0.45) METAXLKDRMERTKKIT
SCHEMBL31412930 0.84 MET (0.54) METAXLKDRMERTKKIT
SCHEMBL19987751 0.84 MET (0.45) METAXLKDRMERTKKIT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US claimed
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US claimed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP claimed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF MET, MERTK, DMPK MET 1/4885AXL 212/4885KDR 210/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK MET 1/4885AXL 212/4885KDR 210/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.